# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Park-J-H-Jo-H-J-Ahn-H-H-et-al--Fe-Cu-Bi # implementation = 2026--Park-J-H--Fe-Cu-Bi--LAMMPS--ipr1 # composition = Bi2Cu # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2026-06-16 r C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 5.156432367e+02 0.80 4.877316869e+02 0.82 4.612425610e+02 0.84 4.361064760e+02 0.86 4.122573176e+02 0.88 3.896320911e+02 0.90 3.681707782e+02 0.92 3.478162008e+02 0.94 3.285138901e+02 0.96 3.102119624e+02 0.98 2.928609999e+02 1.00 2.764139372e+02 1.02 2.608259521e+02 1.04 2.460543627e+02 1.06 2.320585275e+02 1.08 2.187997514e+02 1.10 2.062411948e+02 1.12 1.943477876e+02 1.14 1.830861469e+02 1.16 1.724244980e+02 1.18 1.623325994e+02 1.20 1.527816713e+02 1.22 1.437443271e+02 1.24 1.351945078e+02 1.26 1.271074202e+02 1.28 1.194594771e+02 1.30 1.122282404e+02 1.32 1.053923674e+02 1.34 9.893155875e+01 1.36 9.282650948e+01 1.38 8.705886173e+01 1.40 8.161116011e+01 1.42 7.646680881e+01 1.44 7.161003087e+01 1.46 6.702582924e+01 1.48 6.269994970e+01 1.50 5.861884549e+01 1.52 5.476964351e+01 1.54 5.114011222e+01 1.56 4.771863089e+01 1.58 4.449416041e+01 1.60 4.145621534e+01 1.62 3.859483736e+01 1.64 3.590056990e+01 1.66 3.336443394e+01 1.68 3.097790503e+01 1.70 2.873289126e+01 1.72 2.662171237e+01 1.74 2.463707975e+01 1.76 2.277207745e+01 1.78 2.102014402e+01 1.80 1.937505524e+01 1.82 1.783090766e+01 1.84 1.638210287e+01 1.86 1.502333257e+01 1.88 1.374956433e+01 1.90 1.255602797e+01 1.92 1.143820265e+01 1.94 1.039180452e+01 1.96 9.412775025e+00 1.98 8.497269646e+00 2.00 7.641647293e+00 2.02 6.842460149e+00 2.04 6.096443990e+00 2.06 5.400508994e+00 2.08 4.751730963e+00 2.10 4.147342985e+00 2.12 3.584727485e+00 2.14 3.061408659e+00 2.16 2.575045275e+00 2.18 2.123423815e+00 2.20 1.704451957e+00 2.22 1.316152362e+00 2.24 9.566567710e-01 2.26 6.242003826e-01 2.28 3.171165086e-01 2.30 3.383148551e-02 2.32 -2.271401598e-01 2.34 -4.672003117e-01 2.36 -6.876716397e-01 2.38 -8.898017561e-01 2.40 -1.074767172e+00 2.42 -1.243677051e+00 2.44 -1.397576786e+00 2.46 -1.537451389e+00 2.48 -1.664228718e+00 2.50 -1.778782537e+00 2.52 -1.881935432e+00 2.54 -1.974461568e+00 2.56 -2.057089318e+00 2.58 -2.130503752e+00 2.60 -2.195349002e+00 2.62 -2.252230508e+00 2.64 -2.301717148e+00 2.66 -2.344343258e+00 2.68 -2.380610553e+00 2.70 -2.410989940e+00 2.72 -2.435923246e+00 2.74 -2.455824854e+00 2.76 -2.471083252e+00 2.78 -2.482062500e+00 2.80 -2.489103625e+00 2.82 -2.492525939e+00 2.84 -2.492628287e+00 2.86 -2.489690232e+00 2.88 -2.483973172e+00 2.90 -2.475721405e+00 2.92 -2.465163125e+00 2.94 -2.452511377e+00 2.96 -2.437964956e+00 2.98 -2.421709247e+00 3.00 -2.403917039e+00 3.02 -2.384749276e+00 3.04 -2.364355773e+00 3.06 -2.342875901e+00 3.08 -2.320439215e+00 3.10 -2.297166067e+00 3.12 -2.273168170e+00 3.14 -2.248549136e+00 3.16 -2.223404983e+00 3.18 -2.197824612e+00 3.20 -2.171890254e+00 3.22 -2.145677900e+00 3.24 -2.119257691e+00 3.26 -2.092694300e+00 3.28 -2.066047280e+00 3.30 -2.039371395e+00 3.32 -2.012716936e+00 3.34 -1.986130007e+00 3.36 -1.959652801e+00 3.38 -1.933323704e+00 3.40 -1.906175741e+00 3.42 -1.867656647e+00 3.44 -1.782787397e+00 3.46 -1.641760323e+00 3.48 -1.613459500e+00 3.50 -1.595808728e+00 3.52 -1.578328212e+00 3.54 -1.561013994e+00 3.56 -1.543862154e+00 3.58 -1.526868924e+00 3.60 -1.510030779e+00 3.62 -1.493344507e+00 3.64 -1.476807249e+00 3.66 -1.460416522e+00 3.68 -1.444170222e+00 3.70 -1.428066603e+00 3.72 -1.412104250e+00 3.74 -1.396282037e+00 3.76 -1.380599077e+00 3.78 -1.365054670e+00 3.80 -1.349648248e+00 3.82 -1.334379324e+00 3.84 -1.319247436e+00 3.86 -1.304252113e+00 3.88 -1.289392829e+00 3.90 -1.274668977e+00 3.92 -1.258007671e+00 3.94 -1.212204958e+00 3.96 -1.056282781e+00 3.98 -6.352688550e-01 4.00 -2.965288510e-22 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00